Related papers: Interphase in the mechanical behaviour prediction …
For polymer nanocomposites, disordered microstructural nature makes processing control and tailoring properties to desired values a challenge. Understanding process-structure-property relation can provide guidelines for process and…
Natural materials often feature a combination of soft and stiff phases, arranged to achieve excellent mechanical properties, such as high strength and toughness. Many natural materials have even independently evolved to have similar…
We study the structural and dynamical mechanisms of reinforcement of a polymer nanocomposite (PNC) via coarse-grained molecular dynamics simulations. In a regime of strong polymer-filler interactions, the stress at failure of the PNC is…
A generalization of the $t-J$ model in a system of two coupled chains or planes is studied by numerical diagonalization of small clusters. In particular, the effect of density fluctuations between these one- or two-dimensional coupled…
Each single domain nano-magnet acts as a magnetic dipole in addition it oscillates its magnetization about the easy axis and rotates coherently depending upon temperature and anisotropy. In an ensemble of nano-magnets, the relaxation time…
Non-contact interaction between two parallel flat surfaces is a central paradigm in sciences. This situation is the starting point for a wealth of different models: the capacitor description in electrostatics, hydrodynamic flow, thermal…
The article considers the simulation of the formation of a multilayer nanocomposite, the combination of elements of which gives rise to the effect of a spin valve. The relevance and importance of the effects in the field of spintronics and…
When two or more metallic nanoparticles are in close proximity, their plasmonic modes may interact through the near field, leading to additional resonances of the coupled system or to shifts of their resonant frequencies. This process is…
We discuss some examples where numerical simulations based on effectively fabricated nanostructures can provide additional insights into an experiment. Focusing on plasmonics, we study Fano resonant systems for optical trapping, realistic…
Intensive concerns about the biosafety of nanomaterials demand the systematic study of the mechanisms about their biological effects. Many biological effects can be attributed to the interaction of nanomaterials with protein and their…
Insoluble surfactant monolayers at the air/water interface undergo a phase transition from a high-temperature homogeneous state to a low-temperature demixed state, where dilute and dense phases coexist. Alternatively, the transition from a…
Multiphase magnetic systems are common in nature and are increasingly being recognized in technical applications. One characterization method which has shown great promise for determining separate and collective effects of multiphase…
The development of nanostructured hybrid systems is a flourishing area of research, which brings together chemistry, physics and materials science. These systems are composed of nanoparticles with interesting properties (e.g. optical,…
While recent efforts have shown how local structure plays an essential role in the dynamic heterogeneity of homogeneous glass-forming materials, systems containing interfaces such as thin films or composite materials remain poorly…
We introduce a novel coarse-grained bead-spring model for flexible polymers to systematically examine the effects of an adjusted bonded potential on the formation and stability of structural macrostates in a thermal environment. The density…
We use phase field simulations to study composites made of two different ferroelastics (e.g., two types of martensite). The deformation of one material due to a phase transformation can elastically affect the other constituent and induce it…
Solid-state nanopores offer a powerful platform for nanoscale analysis of individual analytes, including biomolecules and functionalized nanoparticles, by confining them within a precisely defined sensing region. However, their inherently…
Synthetic nanomotors powered by chemical reactions have been designed to act as vehicles for active cargo transport, drug delivery as well as a variety of other uses. Collections of such motors, acting in consort, can self-assemble to form…
A recent area of interest in thermal applications has been nanofluids, with extensive research conducted in the field, and numerous publications expounding on new results coming to the fore. The properties of such fluids depend on their…
Active materials with distinctive nonequilibrium properties have diverse materials science applications. Active systems are common in living matter, such as the filament network in the cell that is activated by molecular motors, and in…